PDB: 221716 件ウェブページステータス検索Chemie searchBIRD

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5RDN	PanDDA analysis group deposition -- Endothiapepsin ground state model 47 分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... 著者 Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. 登録日 2020-03-24 公開日 2020-06-03 最終更新日 2020-06-17 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
2V8T	Crystal structure of Mn catalase from Thermus Thermophilus complexed with chloride 分子名称: CHLORIDE ION, LITHIUM ION, MANGANESE (II) ION, ... 著者 Antonyuk, S.V, Barynin, V.V, Vaguine, A.A, Melik-Adamyan, W.R, Popov, A.N, Lamsin, V.S, Harrison, P.M, Artymiuk, P.J. 登録日 2007-08-14 公開日 2007-09-11 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 Three-Dimentional Structure of the Enzyme Dimanganese Catalase from Thermus Thermophilus at 1 Angstrom Resolution Crystallogr.Rep.(Transl. Kristallografiya), 45, 2000
5RBV	PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library D04a 分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... 著者 Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. 登録日 2020-03-24 公開日 2020-06-03 最終更新日 2024-04-24 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
1IXH	PHOSPHATE-BINDING PROTEIN (PBP) COMPLEXED WITH PHOSPHATE 分子名称: PHOSPHATE ION, PHOSPHATE-BINDING PROTEIN 著者 Wang, Z, Luecke, H, Quiocho, F.A. 登録日 1996-08-01 公開日 1998-02-04 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 A low energy short hydrogen bond in very high resolution structures of protein receptor--phosphate complexes. Nat.Struct.Biol., 4, 1997
3B3R	Crystal structure of Streptomyces cholesterol oxidase H447Q/E361Q mutant bound to glycerol (0.98A) 分子名称: Cholesterol oxidase, FLAVIN-N7 PROTONATED-ADENINE DINUCLEOTIDE, GLYCEROL, ... 著者 Lyubimov, A.Y, Heard, K, Tang, H, Sampson, N.S, Vrielink, A. 登録日 2007-10-22 公開日 2007-12-18 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 Distortion of flavin geometry is linked to ligand binding in cholesterol oxidase Protein Sci., 16, 2007
3WBO	Crystal Structure Analysis of the Z-DNA hexamer CGCGCG with 40 mM NaCl 分子名称: DNA (5'-D(*CP*GP*CP*GP*CP*G)-3') 著者 Chatake, T. 登録日 2013-05-20 公開日 2014-05-14 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 Structural fluctuation observed in Z-DNA d(CGCGCG)2 in the absence of divalent metal cations and polyamines J.SYNCHROTRON RADIAT., 20, 2013
4FU5	Carbonic Anhydrase II in complex with N-[(2Z)-1,3-oxazolidin-2-ylidene]sulfuric diamide 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, MERCURIBENZOIC ACID, ... 著者 Di Pizio, A, Heine, A, Klebe, G. 登録日 2012-06-28 公開日 2013-07-17 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 HIgh resolution crystal structures of Carbonic Anhzdrase II in complex with nonvel sulfamide binders To be Published
2VI3	Atomic resolution (0.98 A) structure of purified thaumatin I grown in sodium DL-tartrate at 20 C 分子名称: GLYCEROL, L(+)-TARTARIC ACID, THAUMATIN-1 著者 Jakoncic, J, Asherie, N, Ginsberg, C. 登録日 2007-11-26 公開日 2009-02-10 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 Tartrate Chirality Determines Thaumatin Crystal Habit Cryst.Growth Des., 9, 2009
7QYO	BAZ2A bromodomain in complex with acetylpyrrole derivative compound 79 分子名称: 1-[2-methyl-4-(3-methylbutyl)-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A 著者 Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. 登録日 2022-01-28 公開日 2022-09-28 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (0.983 Å) 主引用文献 Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
1EN9	1A CRYSTAL STRUCTURES OF B-DNA REVEAL SEQUENCE-SPECIFIC BINDING AND GROOVE-SPECIFIC BENDING OF DNA BY MAGNESIUM AND CALCIUM. 分子名称: DNA (5'-D(*CP*CP*AP*GP*CP*GP*CP*TP*GP*G)-3'), MAGNESIUM ION 著者 Chiu, T.K, Dickerson, R.E. 登録日 2000-03-20 公開日 2000-09-25 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (0.985 Å) 主引用文献 1 A crystal structures of B-DNA reveal sequence-specific binding and groove-specific bending of DNA by magnesium and calcium. J.Mol.Biol., 301, 2000
1ENE	1A CRYSTAL STRUCTURES OF B-DNA REVEAL SEQUENCE-SPECIFIC BINDING AND GROOVE-SPECIFIC BENDING OF DNA BY MAGNESIUM AND CALCIUM. 分子名称: CALCIUM ION, DNA (5'-D(*CP*CP*AP*GP*CP*GP*CP*TP*GP*G)-3'), ETHANOL 著者 Chiu, T.K, Dickerson, R.E. 登録日 2000-03-21 公開日 2000-09-25 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (0.985 Å) 主引用文献 1 A crystal structures of B-DNA reveal sequence-specific binding and groove-specific bending of DNA by magnesium and calcium. J.Mol.Biol., 301, 2000
1EN3	1A CRYSTAL STRUCTURES OF B-DNA REVEAL SEQUENCE-SPECIFIC BINDING AND GROOVE-SPECIFIC BENDING OF DNA BY MAGNESIUM AND CALCIUM 分子名称: DNA (5'-D(*CP*CP*AP*AP*CP*GP*TP*TP*GP*G)-3'), MAGNESIUM ION 著者 Chiu, T.K, Dickerson, R.E. 登録日 2000-03-20 公開日 2000-09-25 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (0.985 Å) 主引用文献 1 A crystal structures of B-DNA reveal sequence-specific binding and groove-specific bending of DNA by magnesium and calcium. J.Mol.Biol., 301, 2000
1EN8	1 A CRYSTAL STRUCTURES OF B-DNA REVEAL SEQUENCE-SPECIFIC BINDING AND GROOVE-SPECIFIC BENDING OF DNA BY MAGNESIUM AND CALCIUM 分子名称: CALCIUM ION, DNA (5'-D(*CP*CP*AP*AP*CP*GP*TP*TP*GP*G)-3'), ETHANOL 著者 Chiu, T.K, Dickerson, R.E. 登録日 2000-03-20 公開日 2000-09-25 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (0.985 Å) 主引用文献 1 A crystal structures of B-DNA reveal sequence-specific binding and groove-specific bending of DNA by magnesium and calcium. J.Mol.Biol., 301, 2000
5S3W	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0135 分子名称: (3R,4R)-4-(2-methylphenyl)oxolane-3-carboxylic acid, Non-structural protein 3 著者 Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. 登録日 2020-11-02 公開日 2021-01-13 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (0.987 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
5SBQ	CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z44592329 分子名称: CD44 antigen, DIMETHYL SULFOXIDE, N-phenyl-N'-pyridin-3-ylurea, ... 著者 Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. 登録日 2021-09-14 公開日 2021-09-22 実験手法 X-RAY DIFFRACTION (0.988 Å) 主引用文献 CD44 PanDDA analysis group deposition To Be Published
7Z9W	BRD4 in complex with FragLite1 分子名称: 4-bromo-1H-pyrazole, GLYCEROL, Isoform C of Bromodomain-containing protein 4 著者 Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. 登録日 2022-03-21 公開日 2022-12-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (0.988 Å) 主引用文献 Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
5FLK	Structure of haloalkane dehalogenase variant DhaA101 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DHAA101, DI(HYDROXYETHYL)ETHER 著者 Chaloupkova, R, Waterman, J, Damborsky, J. 登録日 2015-10-26 公開日 2017-03-29 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (0.99 Å) 主引用文献 Evolutionary Analysis is a Powerful Complement to Energy Calculations Allowing Entropy-Driven Stabilization To be Published
5MNF	Cationic trypsin in its apo form (deuterated sample at 295 K) 分子名称: CALCIUM ION, Cationic trypsin, SULFATE ION 著者 Schiebel, J, Heine, A, Klebe, G. 登録日 2016-12-13 公開日 2018-01-17 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (0.99 Å) 主引用文献 Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
6YZK	Carborane closo-pentyl-sulfonamide in complex with CA IX mimic 分子名称: Carbonic anhydrase 2, Carborane closo-pentyl-sulfonamide, ZINC ION 著者 Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. 登録日 2020-05-07 公開日 2020-10-28 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (0.99 Å) 主引用文献 The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX. J Enzyme Inhib Med Chem, 35, 2020
4IAU	Atomic resolution structure of Geodin, a beta-gamma crystallin from Geodia cydonium 分子名称: Beta-gamma-crystallin, CALCIUM ION, GLYCEROL 著者 Vergara, A, Grassi, M, Sica, F, Mazzarella, L, Merlino, A. 登録日 2012-12-07 公開日 2013-06-05 実験手法 X-RAY DIFFRACTION (0.99 Å) 主引用文献 A novel interdomain interface in crystallins: structural characterization of the [beta][gamma]-crystallin from Geodia cydonium at 0.99 A resolution Acta Crystallogr.,Sect.D, 69, 2013
7LOG	T4 lysozyme mutant L99A in complex with 3-butylpyridine 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-butylpyridine, BETA-MERCAPTOETHANOL, ... 著者 Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. 登録日 2021-02-10 公開日 2021-08-25 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (0.99 Å) 主引用文献 Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
5CMT	Fic protein from Neisseria meningitidis (NmFic) mutant E156R Y183F in dimeric form 分子名称: Adenosine monophosphate-protein transferase NmFic, CHLORIDE ION, GLYCEROL 著者 Stanger, F.V, Schirmer, T. 登録日 2015-07-17 公開日 2016-01-27 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (0.99 Å) 主引用文献 Intrinsic regulation of FIC-domain AMP-transferases by oligomerization and automodification. Proc.Natl.Acad.Sci.USA, 113, 2016
1ZF5	GCT duplex B-DNA 分子名称: 5'-D(*CP*CP*AP*GP*CP*GP*CP*TP*GP*G)-3' 著者 Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S. 登録日 2005-04-19 公開日 2005-05-10 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (0.99 Å) 主引用文献 How sequence defines structure: a crystallographic map of DNA structure and conformation. Proc.Natl.Acad.Sci.Usa, 102, 2005
6JJQ	Crystal structure of peptidyl-tRNA hydrolase from Acinetobacter baumannii at 0.99 A resolution. 分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Peptidyl-tRNA hydrolase, ... 著者 Viswanathan, V, Bairagya, H.R, Sharma, P, Sharma, S, Singh, T.P. 登録日 2019-02-26 公開日 2019-03-06 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (0.99 Å) 主引用文献 Crystal structure of peptidyl-tRNA hydrolase from Acinetobacter baumannii at 0.99 A resolution. To Be Published
7P1U	Structure of KDNase from Trichophyton Rubrum in complex with 2-keto-3-deoxynononic acid 分子名称: Extracellular sialidase/neuraminidase, GLYCEROL, deamino-alpha-neuraminic acid 著者 Gloster, T.M, McMahon, S.A. 登録日 2021-07-02 公開日 2021-10-20 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (0.99 Å) 主引用文献 Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens. Acs Chem.Biol., 16, 2021

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